4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide

C12H13ClN4O3S — CID 49017272

IUPAC4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C12H13ClN4O3S/c1-17-6-5-11(15-17)14-12(18)8-3-4-9(13)10(7-8)16-21(2,19)20/h3-7,16H,1-2H3,(H,14,15,18)
InChIKeyZSGCLPIOTRAKFT-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.70
Rot. Bonds4

About 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide

4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 49017272) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID49017272
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C12H13ClN4O3S/c1-17-6-5-11(15-17)14-12(18)8-3-4-9(13)10(7-8)16-21(2,19)20/h3-7,16H,1-2H3,(H,14,15,18)
InChIKeyZSGCLPIOTRAKFT-UHFFFAOYSA-N
XLogP1.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 37242332
4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide
CID 86816660
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
CID 100786334
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
3-amino-4-bromo-N-(1-methylpyrazol-3-yl)benzamide
CID 61104249
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
CID 61104637
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
CID 49021281
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
N-[5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-chlorophenyl]methanesulfonamide
CID 49014753

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide (CID 49017272) is 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)n1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is ZSGCLPIOTRAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-17-6-5-11(15-17)14-12(18)8-3-4-9(13)10(7-8)16-21(2,19)20/h3-7,16H,1-2H3,(H,14,15,18).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide?
4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 328.78 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 49017272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).